[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride

C6H16ClN5 — CID 135624042

IUPAC[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride
SMILESCCC(C)/[NH+]=C(\N)N=C(N)N.[Cl-]
InChIInChI=1S/C6H15N5.ClH/c1-3-4(2)10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H
InChIKeyOPYILJNUCXYJBN-UHFFFAOYSA-N
MW193.68 g/mol
LogP-5.54
Rot. Bonds2

About [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride

[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride (PubChem CID 135624042) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride
PubChem CID135624042
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride
SMILESCCC(C)/[NH+]=C(\N)N=C(N)N.[Cl-]
InChIInChI=1S/C6H15N5.ClH/c1-3-4(2)10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H
InChIKeyOPYILJNUCXYJBN-UHFFFAOYSA-N
XLogP-5.54
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-5.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Gliporal
CID 135624041
Diaminomethylidene(propan-2-yl)azanium chloride
CID 135086511
1-Carbamimidoyl-2-propan-2-ylguanidine;hydrochloride
CID 176520167
Diaminomethylidene(propan-2-yl)azanium
CID 21364731
[(4R)-4-aminopentyl]-(diaminomethylidene)azanium
CID 57681454
4-Aminopentyl(diaminomethylidene)azanium
CID 59325928
[(4R)-4-azaniumylpentyl]-(diaminomethylidene)azanium
CID 60105784
4-Azaniumylpentyl(diaminomethylidene)azanium
CID 72649386
Diaminomethylidene-[1-(diaminomethylideneazaniumyl)propan-2-yl]azanium dichloride
CID 140324456
Diaminomethylidene-[4-(diaminomethylideneazaniumyl)butyl]azanium dichloride
CID 140324461
Diaminomethylidene-[3-(diaminomethylideneazaniumyl)propyl]azanium dichloride
CID 140370455
[Amino-(diaminomethylideneamino)methylidene]-propan-2-ylazanium
CID 140927129

Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride (CID 135624042) is [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride is CCC(C)/[NH+]=C(\N)N=C(N)N.[Cl-].
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride?
The InChIKey is OPYILJNUCXYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH/c1-3-4(2)10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride?
[amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride has a molecular weight of 193.68 g/mol, XLogP of -5.54, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-butan-2-ylazanium chloride is sourced from PubChem (CID 135624042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).